AMBER Archive (2008)

Subject: AMBER: Problem compiling Amber with Intel 10 compilers - "undefined reference" errors

From: Ben Roberts (
Date: Mon Sep 08 2008 - 10:43:47 CDT

Hi list,

I've been trying to compile AMBER 10 using the Fortran compilers on a 64
bit machine. It works OK up until Sander, whereupon I get the following

multisander.o(.text+0x3f): In function `MAIN__':
: undefined reference to `ncsu_sander_hooks_mp_on_multisander_exit_'
sander.o(.text+0x3d36): In function `sander_':
: undefined reference to `ncsu_sander_hooks_mp_on_sander_init_'
sander.o(.text+0x40be): In function `sander_':
: undefined reference to `ncsu_sander_hooks_mp_on_sander_exit_'
mdwrit.o(.text+0x26): In function `mdwrit_':
: undefined reference to `ncsu_sander_hooks_mp_on_mdwrit_'
force.o(.text+0x255): In function `force_.L':
: undefined reference to `ncsu_sander_hooks_mp_on_force_'
force.o(.text+0x2e0d): In function `force_.A':
: undefined reference to `ncsu_sander_hooks_mp_on_force_'

This occurs when trying to combine Sander's many object files into the
sander executable.

The compilation is known to work ok using the Fortran versions 9.1.037
and 9.1.039. Is there any way around the problem in 10.1.015 (the
version of Intel 10 I'm trying to use)?

In addition to running the configure_amber script with the
"ifort_x86_64" argument, I have made the following changes to the
config_amber.h file:

- Replaced references to "gcc" with "icc" (using the Intel C compiler
10.1.015 - the 64-bit version)
- Replaced references to "g++" with "icpc"
- Replaced references to "cpp" with "fpp" and took out the
"-traditional" option

I'm at a loss to know why this would be fouling up! Any suggestions?

Thanks in advance,


PS. Last time I submitted a question to this list, I didn't receive the
reply which someone sent. Is that known to be a problem from time to
time? I've been getting many other messages from the list since then, so
I don't think in-house spam filtering is to blame.

Benjamin P. Roberts
Postdoctoral Research Associate
Quantum Theory Project
University of Florida

2301 New Physics Building #92 PO Box 118435 Gainesville FL 32611-8435 USA

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